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Common name


cyanofenphos

Formula


C15H14NO2PS

CAS


13067-93-1

IUPAC name


O-(4-cyanophenyl) O-ethyl P-phenylphosphonothioate

SMILES


CCOP(=S)(c1ccccc1)Oc1ccc(cc1)C#N

INCHI


InChI=1S/C15H14NO2PS/c1-2-17-19(20,15-6-4-3-5-7-15)18-14-10-8-13(12-16)9-11-14/h3-11H,2H2,1H3

Physicochemical Properties

Molecular weight:

303.316

Molar refractivity:

92.951

Num. bonds:

21

Num. double bonds:

7

Num. triple bonds:

1

Num. heavy atoms:

20

Num. nitrogen atom:

1

Num. oxygen atoms:

2

Num. sulphur atoms :

1

Num. P atoms:

1

Num. halogen atoms:

0

Num. H-bond acc:

2

Num. H-bond donors:

0

Complexity of system:

61.05

Lipophilicity

ALogP:

2.566

MLogP:

2.56

XLogP:

3.25

Water Solubility

CLogS:

-4.12

Geometric

PPSA-1:

351.835

PNSA-1:

250.899

RPCS:

0.065

RNCS:

2.687

THSA:

517.62

TPSA:

116.965

RHSA:

0.859

RPSA:

0.141

Electrostatic

RPCG:

0.148

RNCG:

0.243

Flexibility

Num. Rot. bonds:

5

Frac. of Rot. bonds:

0.238

Photostability

Num. arom. bonds:

12

Num. arom. atoms:

12

Num. arom. rings:

2

Num. rings:

2

Topological

topoRadius:

6

topoDiameter:

11

TopoPSA:

84.15
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Radar annotation

Insecticide-likeness scores

The higher the score, the better the insecticide-likeness


RDL:

1.568

QEI:

0.795

Gau:

6.654